7T29

Crystal Structure of Adenylosuccinate lyase (ASL) from Pseudomonas aeruginosa complexed with AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-02-28
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	I 2 2 2
Unit cell lengths	70.870, 73.150, 177.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.820 - 1.500
R-factor	0.1444
Rwork	0.144
R-free	0.17320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t24
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev-4274)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.820	33.820	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.053	0.024	0.562
Rmeas	0.058	0.026	0.614
Total number of observations	452281
Number of reflections	74051	909	5420
<I/σ(I)>	20.49	60.92	3.14
Completeness [%]	99.8	96.5	100
Redundancy	6.108	5.531	6.088
CC(1/2)	0.999	0.999	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	PsaeA.17999.a.B1.PW38925 at 24 mg/ml incubated with 4 mM AMP and fumarate, mixed 1:1 with MCSG1(e4): 0.2 M Lithium Sulfate, 0.1 M Tris:HCl, pH=8.5, 25% (w/v) PEG 3350. Puck: emv3-7, barcode: 320112e4.